title: Feasibility study on chemometric discrimination of roasted Arabica coffees by solvent extraction and Fourier transform infrared spectroscopy.
abstract: In this feasibility study, Fourier transform infrared (FTIR) spectroscopy and chemometric analysis were adopted to discriminate coffees from different geographical origins and of different roasting degrees. Roasted coffee grounds were extracted using two methods: (1) solvent alone (dichloromethane, ethyl acetate, hexane, acetone, ethanol, or acetic acid) and (2) coextraction using a mixture of equal volume of the solvent and water. Experiment results showed that the coextraction method resulted in cleaner extract and provided a greater amount of spectral information, which was important for sample discrimination. Principal component analysis of infrared spectra of ethyl acetate extracts for dark and medium roast coffees showed separated clusters according to their geographical origins and roast degrees. Classification models based on soft independent modeling of class analogy analysis were used to classify different coffee samples. Coffees from four different countries, which were roasted to dark, were 100% correctly classified when ethyl acetate was used as a solvent. The FTIR-chemometric technique developed here may serve as a rapid tool for discriminating geographical origin of roasted coffees. Future studies involving green coffee beans and the use of larger sample size are needed to further validate the robustness of this technique.
authors.affiliation: Department of Food Science, University of Guelph, Guelph, ON N1G 2W1, Canada.
authors.forename: Niya
authors.initials: N
authors.lastname: Wang
authors.forename: Yucheng
authors.initials: Y
authors.lastname: Fu
authors.forename: Loong-Tak
authors.initials: LT
authors.lastname: Lim
mesh_terms: D000085:Acetates; D040503:Coffea / Q000737:chemistry* / Q000145:classification*; D005240:Feasibility Studies; D006358:Hot Temperature; D012639:Seeds / Q000737:chemistry*; D012997:Solvents; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D000085:Acetates; D012997:Solvents; C007650:ethyl acetate